Linalool-3,7-oxide

Compound Structure:

Synonyms:

2-ethenyl-2,6,6-trimethyloxane; 2,6,6-Trimethyl-2-vinyltetrahydropyran; Linaloyl oxide; 2,2,6-Trimethyl-6-vinyltetrahydropyran; 2H-Pyran, 2-ethenyltetrahydro-2,6,6-trimethyl-; 2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran; 2H-Pyran, tetrahydro-2,2,6-trimethy

Compound ID:

NMPC-1203

PubChem ID:

522514

Molecular Formula:

C10H18O

Canonical SMILES:

CC1(CCCC(O1)(C)C=C)C

InChIKey:

NETOHYFTCONTDT-UHFFFAOYSA-N

About the compound:

Linalool is a monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimumcanum. It has a role as a plant metabolite, a volatile oil component, an antimicrobial agent and a fragrance. It is a tertiary alcohol and a monoterpenoid.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	154.25 g/mol
XLogP3-AA	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	154.135765193 g/mol
Monoisotopic Mass	154.135765193 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Boiling Point	194.00 to 197.00 °C. @ 760.00 mm Hg
Melting Point	< 25 °C

Source: PubChem

Source Species:

Mucuna pruriens

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